| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
61 |
22 |
19696 |
◊ |
A |
x,y,z |
1_555 |
78 |
26 |
19128 |
651.7 |
-2.9 |
0.389 |
2 |
1 |
0 |
0.000 |
| 2 |
2 |
|
[HEM]B:500 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
90 |
34 |
19696 |
595.2 |
-18.5 |
0.542 |
10 |
0 |
0 |
0.086 |
3 |
|
[HEM]C:500 |
43 |
1 |
835 |
f |
C |
x,y,z |
1_555 |
94 |
33 |
19395 |
594.7 |
-17.6 |
0.621 |
10 |
0 |
0 |
0.086 |
4 |
|
[HEM]D:500 |
43 |
1 |
834 |
f |
D |
x,y,z |
1_555 |
91 |
35 |
19623 |
592.9 |
-17.6 |
0.599 |
10 |
0 |
0 |
0.086 |
5 |
|
[HEM]A:500 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
92 |
33 |
19128 |
589.7 |
-18.3 |
0.562 |
10 |
0 |
0 |
0.086 |
| Average: |
593.1 |
-18.0 |
0.581 |
10 |
0 |
0 |
0.086 |
| 3 |
6 |
|
D |
39 |
9 |
19623 |
◊ |
A |
x,y,z |
1_555 |
39 |
9 |
19128 |
415.1 |
-8.5 |
0.012 |
2 |
0 |
0 |
0.000 |
7 |
|
C |
39 |
9 |
19395 |
◊ |
B |
x,y,z |
1_555 |
39 |
9 |
19696 |
390.6 |
-8.2 |
0.018 |
2 |
0 |
0 |
0.000 |
| Average: |
402.8 |
-8.4 |
0.015 |
2 |
0 |
0 |
0.000 |
| 4 |
8 |
|
C |
49 |
17 |
19395 |
◊ |
D |
x-1,y,z |
1_455 |
50 |
16 |
19623 |
413.2 |
6.6 |
0.946 |
8 |
7 |
0 |
0.000 |
| 5 |
9 |
|
B |
53 |
12 |
19696 |
◊ |
C |
x,y,z-1 |
1_554 |
42 |
15 |
19395 |
411.6 |
-1.3 |
0.495 |
4 |
4 |
0 |
0.000 |
| 6 |
10 |
|
C |
39 |
11 |
19395 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
34 |
13 |
19623 |
342.5 |
3.0 |
0.807 |
4 |
4 |
0 |
0.000 |
| 7 |
11 |
|
B |
43 |
10 |
19696 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
10 |
19128 |
308.0 |
2.6 |
0.813 |
2 |
3 |
0 |
0.000 |
| 8 |
12 |
|
B |
23 |
8 |
19696 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
22 |
8 |
19128 |
234.4 |
2.7 |
0.849 |
3 |
7 |
0 |
0.000 |
| 9 |
13 |
|
[D2G]C:501 |
14 |
1 |
380 |
f |
C |
x,y,z |
1_555 |
36 |
14 |
19395 |
224.7 |
-5.2 |
0.180 |
1 |
0 |
0 |
0.022 |
14 |
|
[D2G]D:501 |
14 |
1 |
380 |
f |
D |
x,y,z |
1_555 |
35 |
13 |
19623 |
222.3 |
-5.2 |
0.169 |
1 |
0 |
0 |
0.022 |
15 |
|
[D2G]B:501 |
14 |
1 |
380 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
19696 |
218.3 |
-5.0 |
0.182 |
1 |
0 |
0 |
0.022 |
16 |
|
[D2G]A:501 |
14 |
1 |
378 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
19128 |
218.1 |
-5.0 |
0.172 |
1 |
0 |
0 |
0.022 |
| Average: |
220.9 |
-5.1 |
0.176 |
1 |
0 |
0 |
0.022 |
| 10 |
17 |
|
A |
27 |
9 |
19128 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
8 |
19623 |
221.8 |
-0.9 |
0.467 |
2 |
0 |
0 |
0.000 |
| 11 |
18 |
|
D |
14 |
6 |
19623 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
19696 |
185.7 |
-4.9 |
0.014 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
13 |
5 |
19395 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
19128 |
165.0 |
-4.2 |
0.018 |
0 |
0 |
0 |
0.000 |
| Average: |
175.4 |
-4.5 |
0.016 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
C |
12 |
4 |
19395 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
7 |
19128 |
124.9 |
1.4 |
0.760 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
C |
14 |
4 |
19395 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
19128 |
122.4 |
-0.6 |
0.461 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[EDO]C:2004 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
19395 |
108.8 |
3.8 |
0.613 |
3 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[EDO]D:2007 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
19623 |
101.1 |
3.2 |
0.459 |
1 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[EDO]C:2002 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
19395 |
99.4 |
2.2 |
0.367 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[SO4]A:2502 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
19128 |
92.0 |
-11.8 |
0.763 |
3 |
0 |
0 |
0.021 |
| 18 |
26 |
|
[SO4]B:2506 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19696 |
91.7 |
-11.7 |
0.774 |
2 |
0 |
0 |
0.030 |
| 19 |
27 |
|
[EDO]A:2003 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19128 |
86.3 |
2.3 |
0.267 |
2 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[SO4]C:2508 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19395 |
86.2 |
-10.9 |
0.742 |
1 |
0 |
0 |
0.034 |
| 21 |
29 |
|
[EDO]C:2001 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
19395 |
82.4 |
1.4 |
0.151 |
1 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[SO4]A:2504 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
19128 |
82.2 |
-11.5 |
0.654 |
4 |
0 |
0 |
0.021 |
| 23 |
31 |
|
C |
13 |
6 |
19395 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
5 |
19623 |
81.6 |
1.9 |
0.846 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[EDO]C:2006 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
19395 |
79.1 |
2.1 |
0.856 |
3 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[SO4]A:2503 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19128 |
76.4 |
-9.1 |
0.721 |
2 |
0 |
0 |
0.016 |
| 26 |
34 |
|
[D2G]A:501 |
6 |
1 |
378 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
24 |
1 |
831 |
68.7 |
-0.6 |
0.963 |
0 |
0 |
0 |
0.002 |
35 |
|
[D2G]D:501 |
5 |
1 |
380 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
25 |
1 |
834 |
68.7 |
-0.6 |
0.963 |
0 |
0 |
0 |
0.002 |
36 |
|
[D2G]C:501 |
5 |
1 |
380 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
25 |
1 |
835 |
68.0 |
-0.6 |
0.965 |
0 |
0 |
0 |
0.002 |
37 |
|
[D2G]B:501 |
6 |
1 |
380 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
24 |
1 |
830 |
66.8 |
-0.4 |
0.965 |
0 |
0 |
0 |
0.002 |
| Average: |
68.1 |
-0.5 |
0.964 |
0 |
0 |
0 |
0.002 |
| 27 |
38 |
|
[SO4]A:2504 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
19696 |
59.0 |
-7.9 |
0.671 |
1 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[EDO]C:2005 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19395 |
57.6 |
1.7 |
0.912 |
1 |
0 |
0 |
0.000 |
| 29 |
40 |
|
B |
5 |
3 |
19696 |
◊ |
[SO4]A:2503 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
188 |
28.7 |
-3.8 |
0.684 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
[EDO]C:2001 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
19128 |
21.0 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
|